1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid

C14H12BrN5O2 — CID 139487588

IUPAC1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1
InChIInChI=1S/C14H12BrN5O2/c15-11-3-9(8-1-2-8)4-19-5-10(16-13(11)19)6-20-7-12(14(21)22)17-18-20/h3-5,7-8H,1-2,6H2,(H,21,22)
InChIKeyUKSIURPPJKTTQG-UHFFFAOYSA-N
MW362.19 g/mol
LogP2.31
Rot. Bonds4

About 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid

1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid (PubChem CID 139487588) has the molecular formula C14H12BrN5O2 and a molecular weight of 362.19 g/mol. Its IUPAC name is 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
PubChem CID139487588
Molecular FormulaC14H12BrN5O2
Molecular Weight362.19 g/mol
Exact Mass361.02
IUPAC Name1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1
InChIInChI=1S/C14H12BrN5O2/c15-11-3-9(8-1-2-8)4-19-5-10(16-13(11)19)6-20-7-12(14(21)22)17-18-20/h3-5,7-8H,1-2,6H2,(H,21,22)
InChIKeyUKSIURPPJKTTQG-UHFFFAOYSA-N
XLogP2.31
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[6-cyclopropyl-8-(1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
CID 139487497
1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
CID 139487396
1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
CID 175752949
(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride
CID 161123677
benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
CID 153431050
2-[[4-[3-(4-carbamimidoyl-2,6-dimethylphenyl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 158175224
ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine
CID 165132115
tert-butyl 1-[[6-cyclopropyl-8-(1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate
CID 139487797
tert-butyl 3-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate
CID 139499218
benzyl 1-[[6-cyclopropyl-8-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate
CID 139487679
1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid
CID 139487885
(Z)-1-[amino-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-1-en-2-amine;ethyl formate
CID 153344026

Frequently Asked Questions

What is the IUPAC name of 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid (CID 139487588) is 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid is O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1.
What is the InChIKey of 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid?
The InChIKey is UKSIURPPJKTTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O2/c15-11-3-9(8-1-2-8)4-19-5-10(16-13(11)19)6-20-7-12(14(21)22)17-18-20/h3-5,7-8H,1-2,6H2,(H,21,22).
What are the key properties of 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid?
1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid has a molecular weight of 362.19 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 139487588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).